BDBM50115363 2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-5-guanidino-pentanoic acid [1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide::CHEMBL431242

SMILES: CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

InChI Key: InChIKey=LUHDZKBXWWFQLS-ORYMTKCHSA-N

Data: 4 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50115363   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Melanocortin receptor 4 (Mus musculus)	BDBM50115363 (2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C36H44N12O5/c1-20(49)45-31(15-23-18-40-19-44-23)35(53)48-30(14-22-17-43-27-10-5-3-8-25(22)27)34(52)46-28(11-6-12-41-36(38)39)33(51)47-29(32(37)50)13-21-16-42-26-9-4-2-7-24(21)26/h2-5,7-10,16-19,28-31,42-43H,6,11-15H2,1H3,(H2,37,50)(H,40,44)(H,45,49)(H,46,52)(H,47,51)(H,48,53)(H4,38,39,41)/t28-,29-,30-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.43E+4	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity to the mouse Melanocortin-4 receptor (mMC4R)				J Med Chem 45: 3073-81 (2002) BindingDB Entry DOI: 10.7270/Q2KK9CHF
					More data for this Ligand-Target Pair
Melanocortin receptor 1 (Mus musculus)	BDBM50115363 (2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C36H44N12O5/c1-20(49)45-31(15-23-18-40-19-44-23)35(53)48-30(14-22-17-43-27-10-5-3-8-25(22)27)34(52)46-28(11-6-12-41-36(38)39)33(51)47-29(32(37)50)13-21-16-42-26-9-4-2-7-24(21)26/h2-5,7-10,16-19,28-31,42-43H,6,11-15H2,1H3,(H2,37,50)(H,40,44)(H,45,49)(H,46,52)(H,47,51)(H,48,53)(H4,38,39,41)/t28-,29-,30-,31-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.34E+4	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity to the mouse Melanocortin-1 receptor (mMC1R)				J Med Chem 45: 3073-81 (2002) BindingDB Entry DOI: 10.7270/Q2KK9CHF
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Mus musculus)	BDBM50115363 (2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C36H44N12O5/c1-20(49)45-31(15-23-18-40-19-44-23)35(53)48-30(14-22-17-43-27-10-5-3-8-25(22)27)34(52)46-28(11-6-12-41-36(38)39)33(51)47-29(32(37)50)13-21-16-42-26-9-4-2-7-24(21)26/h2-5,7-10,16-19,28-31,42-43H,6,11-15H2,1H3,(H2,37,50)(H,40,44)(H,45,49)(H,46,52)(H,47,51)(H,48,53)(H4,38,39,41)/t28-,29-,30-,31-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity to the mouse Melanocortin-3 receptor (mMC3R)				J Med Chem 45: 3073-81 (2002) BindingDB Entry DOI: 10.7270/Q2KK9CHF
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Mus musculus (Mouse))	BDBM50115363 (2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C36H44N12O5/c1-20(49)45-31(15-23-18-40-19-44-23)35(53)48-30(14-22-17-43-27-10-5-3-8-25(22)27)34(52)46-28(11-6-12-41-36(38)39)33(51)47-29(32(37)50)13-21-16-42-26-9-4-2-7-24(21)26/h2-5,7-10,16-19,28-31,42-43H,6,11-15H2,1H3,(H2,37,50)(H,40,44)(H,45,49)(H,46,52)(H,47,51)(H,48,53)(H4,38,39,41)/t28-,29-,30-,31-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity towards mouse Melanocortin-5 receptor (mMC5R)				J Med Chem 45: 3073-81 (2002) BindingDB Entry DOI: 10.7270/Q2KK9CHF
					More data for this Ligand-Target Pair